 | | PNS | | Name: | 4'-PHOSPHOPANTETHEINE | | Formula: | C11 H23 N2 O7 P S | | SMILES: | O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O | | InChi: | InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide |
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 | | MDO | | Name: | {2-[(1S)-1-aminoethyl]-4-methylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid | | Formula: | C8 H11 N3 O3 | | SMILES: | O=C1C(N=C(N1CC(=O)O)C(N)C)=C | | InChi: | InChI=1S/C8H11N3O3/c1-4(9)7-10-5(2)8(14)11(7)3-6(12)13/h4H,2-3,9H2,1H3,(H,12,13)/t4-/m0/s1 | | Synonyms: | 4-METHYLIDENE-5-ONE | | Definition date: | 2001-08-15 | | Last modified: | 2024-09-27 | | Identifier: | {2-[(1S)-1-aminoethyl]-4-methylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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 | | KCX | | Name: | LYSINE NZ-CARBOXYLIC ACID | | Formula: | C7 H14 N2 O4 | | SMILES: | O=C(O)NCCCCC(C(=O)O)N | | InChi: | InChI=1S/C7H14N2O4/c8-5(6(10)11)3-1-2-4-9-7(12)13/h5,9H,1-4,8H2,(H,10,11)(H,12,13)/t5-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | N~6~-carboxy-L-lysine |
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 | | SVY | | Name: | O-[BIS(1-METHYLETHOXY)PHOSPHORYL]-L-SERINE | | Formula: | C9 H20 N O6 P | | SMILES: | O=C(O)C(N)COP(=O)(OC(C)C)OC(C)C | | InChi: | InChI=1S/C9H20NO6P/c1-6(2)15-17(13,16-7(3)4)14-5-8(10)9(11)12/h6-8H,5,10H2,1-4H3,(H,11,12)/t8-/m0/s1 | | Definition date: | 2007-02-13 | | Last modified: | 2024-09-27 | | Identifier: | O-[bis(propan-2-yloxy)phosphoryl]-L-serine |
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 | | NL9 | | Name: | [1-(3-chlorophenyl)-1H-pyrazol-4-yl]boronic acid | | Formula: | C9 H8 B Cl N2 O2 | | SMILES: | Clc1cccc(c1)n2ncc(c2)B(O)O | | InChi: | InChI=1S/C9H8BClN2O2/c11-8-2-1-3-9(4-8)13-6-7(5-12-13)10(14)15/h1-6,14-15H | | Definition date: | 2013-08-06 | | Last modified: | 2024-09-27 | | Release date: | 2014-07-30 | | Identifier: | [1-(3-chlorophenyl)-1H-pyrazol-4-yl]boronic acid |
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 | | XDD | | Name: | N-[(1S,2S)-2-aminocyclopentyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine | | Formula: | C14 H19 N7 O3 | | SMILES: | C(n1cnc2c1ncnc2N)C(=O)N(CC(O)=O)C3CCCC3N | | InChi: | InChI=1S/C14H19N7O3/c15-8-2-1-3-9(8)21(5-11(23)24)10(22)4-20-7-19-12-13(16)17-6-18-14(12)20/h6-9H,1-5,15H2,(H,23,24)(H2,16,17,18)/t8-,9-/m0/s1 | | Definition date: | 2020-12-11 | | Last modified: | 2024-09-27 | | Release date: | 2020-12-23 | | Identifier: | N-[(1S,2S)-2-aminocyclopentyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine |
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 | | SVZ | | Name: | O-[(S)-HYDROXY(ISOPROPYLAMINO)PHOSPHORYL]-L-SERINE | | Formula: | C6 H15 N2 O5 P | | SMILES: | O=P(O)(OCC(N)C(=O)O)NC(C)C | | InChi: | InChI=1S/C6H15N2O5P/c1-4(2)8-14(11,12)13-3-5(7)6(9)10/h4-5H,3,7H2,1-2H3,(H,9,10)(H2,8,11,12)/t5-/m0/s1 | | Definition date: | 2007-02-13 | | Last modified: | 2024-09-27 | | Identifier: | O-{(R)-hydroxy[(1-methylethyl)amino]phosphoryl}-L-serine |
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 | | KCY | | Name: | D-homocysteine | | Formula: | C4 H9 N O2 S | | SMILES: | C(C(N)CCS)(=O)O | | InChi: | InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1 | | Definition date: | 2015-03-10 | | Last modified: | 2024-09-27 | | Release date: | 2015-04-15 | | Identifier: | D-homocysteine |
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 | | MDP | | Name: | N-carboxyl-N-methyl-beta-muramic acid | | Formula: | C11 H19 N O9 | | SMILES: | O=C(O)C(OC1C(O)C(OC(O)C1N(C(=O)O)C)CO)C | | InChi: | InChI=1S/C11H19NO9/c1-4(9(15)16)20-8-6(12(2)11(18)19)10(17)21-5(3-13)7(8)14/h4-8,10,13-14,17H,3H2,1-2H3,(H,15,16)(H,18,19)/t4-,5-,6-,7-,8-,10-/m1/s1 | | Synonyms: | N-CARBOXY-N-METHYL-MURAMIC ACID | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 3-O-[(1R)-1-carboxyethyl]-2-[carboxy(methyl)amino]-2-deoxy-alpha-D-glucopyranose |
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 | | Y5F | | Name: | 2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide | | Formula: | C13 H7 Cl N4 O3 | | SMILES: | O=C(Nc1cc(cnc1)C#N)c1cc(ccc1Cl)[N+]([O-])=O | | InChi: | InChI=1S/C13H7ClN4O3/c14-12-2-1-10(18(20)21)4-11(12)13(19)17-9-3-8(5-15)6-16-7-9/h1-4,6-7H,(H,17,19) | | Definition date: | 2023-01-05 | | Last modified: | 2024-09-27 | | Release date: | 2024-04-17 | | Identifier: | 2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide |
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 | | NLB | | Name: | 6-(benzyloxy)-L-norleucine | | Formula: | C13 H19 N O3 | | SMILES: | O=C(O)C(N)CCCCOCc1ccccc1 | | InChi: | InChI=1S/C13H19NO3/c14-12(13(15)16)8-4-5-9-17-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,14H2,(H,15,16)/t12-/m0/s1 | | Definition date: | 2014-11-09 | | Last modified: | 2024-09-27 | | Release date: | 2015-02-11 | | Identifier: | 6-(benzyloxy)-L-norleucine |
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 | | S2H | | Name: | Hydrogen disulfide | | Formula: | H2 S2 | | SMILES: | SS | | InChi: | InChI=1S/H2S2/c1-2/h1-2H | | Definition date: | 2011-08-05 | | Last modified: | 2024-09-27 |
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 | | SI3 | | Name: | 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid | | Formula: | C11 H19 N O9 | | SMILES: | O=C(O)C(=O)CC(O)C(NC(=O)C)C(O)C(O)C(O)CO | | InChi: | InChI=1S/C11H19NO9/c1-4(14)12-8(5(15)2-6(16)11(20)21)10(19)9(18)7(17)3-13/h5,7-10,13,15,17-19H,2-3H2,1H3,(H,12,14)(H,20,21)/t5-,7+,8+,9+,10+/m0/s1 | | Synonyms: | N-acetylneuraminic acid, ketone form | | Definition date: | 2013-01-04 | | Last modified: | 2024-09-27 | | Release date: | 2013-11-06 | | Identifier: | 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid |
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 | | OFH | | Name: | (4R)-4-[(2-chloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide | | Formula: | C23 H24 Cl F6 N3 O5 S | | SMILES: | O=S(=O)(c1ccc(OC(C)C(F)(F)F)cc1Cl)C4CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C3(C(F)(F)F)CC3)C4 | | InChi: | InChI=1S/C23H24ClF6N3O5S/c1-12(22(25,26)27)38-13-2-3-17(15(24)8-13)39(36,37)14-9-16(18(34)32-20(11-31)4-5-20)33(10-14)19(35)21(6-7-21)23(28,29)30/h2-3,8,11-12,14,16,31H,4-7,9-10H2,1H3,(H,32,34)/b31-11+/t12-,14+,16-/m0/s1 | | Definition date: | 2013-05-28 | | Last modified: | 2024-09-27 | | Release date: | 2014-06-11 | | Identifier: | (4R)-4-[(2-chloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide |
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 | | KS0 | | Name: | 1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}propan-1-one | | Formula: | C14 H19 F N2 O | | SMILES: | CCC(=O)N1CCN(Cc2ccc(F)cc2)CC1 | | InChi: | InChI=1S/C14H19FN2O/c1-2-14(18)17-9-7-16(8-10-17)11-12-3-5-13(15)6-4-12/h3-6H,2,7-11H2,1H3 | | Definition date: | 2023-08-14 | | Last modified: | 2024-09-27 | | Release date: | 2023-11-08 | | Identifier: | 1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}propan-1-one |
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 | | UHN | | Name: | 4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde | | Formula: | C16 H22 N2 O3 S | | SMILES: | O=Cc1ccc(cc1)[S](=O)(=O)N2CCC(CC2)N3CCCC3 | | InChi: | InChI=1S/C16H22N2O3S/c19-13-14-3-5-16(6-4-14)22(20,21)18-11-7-15(8-12-18)17-9-1-2-10-17/h3-6,13,15H,1-2,7-12H2 | | Definition date: | 2021-02-23 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-09 | | Identifier: | 4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde |
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 | | PNY | | Name: | (2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide | | Formula: | C11 H22 N2 O4 S | | SMILES: | O=C(NCCS)CCNC(=O)C(O)C(C)(C)CO | | InChi: | InChI=1S/C11H22N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h9,14,16,18H,3-7H2,1-2H3,(H,12,15)(H,13,17)/t9-/m0/s1 | | Synonyms: | pantetheine | | Definition date: | 2010-07-06 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide |
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 | | NLE | | Name: | NORLEUCINE | | Formula: | C6 H13 N O2 | | SMILES: | O=C(O)C(N)CCCC | | InChi: | InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | L-norleucine |
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 | | X04 | | Name: | (2-AMINO-4-FORMYL-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE | | Formula: | C8 H11 N2 O6 P | | SMILES: | O=Cc1c(O)c(nc(N)c1COP(=O)(O)O)C | | InChi: | InChI=1S/C8H11N2O6P/c1-4-7(12)5(2-11)6(8(9)10-4)3-16-17(13,14)15/h2,12H,3H2,1H3,(H2,9,10)(H2,13,14,15) | | Synonyms: | 6-AMINO-PYRIDOXAL-5'-PHOSPHATE | | Definition date: | 2003-10-27 | | Last modified: | 2024-09-27 | | Identifier: | (2-amino-4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate |
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 | | XDJ | | Name: | N-[(1S,2S)-2-aminocyclopentyl]-N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]glycine | | Formula: | C14 H19 N7 O4 | | SMILES: | C(O)(CN(C1C(N)CCC1)C(Cn2cnc3c2N=C(N)NC3=O)=O)=O | | InChi: | InChI=1S/C14H19N7O4/c15-7-2-1-3-8(7)21(5-10(23)24)9(22)4-20-6-17-11-12(20)18-14(16)19-13(11)25/h6-8H,1-5,15H2,(H,23,24)(H3,16,18,19,25)/t7-,8-/m0/s1 | | Definition date: | 2020-12-11 | | Last modified: | 2024-09-27 | | Release date: | 2020-12-23 | | Identifier: | N-[(1S,2S)-2-aminocyclopentyl]-N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]glycine |
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 | | U44 | | Name: | (2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide | | Formula: | C11 H22 N2 O3 S | | SMILES: | C(S)CNC(CCNC(=O)C(C(C)(C)C)O)=O | | InChi: | InChI=1S/C11H22N2O3S/c1-11(2,3)9(15)10(16)13-5-4-8(14)12-6-7-17/h9,15,17H,4-7H2,1-3H3,(H,12,14)(H,13,16)/t9-/m0/s1 | | Definition date: | 2020-04-16 | | Last modified: | 2024-09-27 | | Release date: | 2020-07-01 | | Identifier: | (2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide |
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 | | S2K | | Name: | (2~{S},6~{S})-2-azanyl-6-[[(4~{R})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid | | Formula: | C12 H21 N3 O7 | | SMILES: | N[CH](CCC[CH](NC(=O)CC[CH](N)C(O)=O)C(O)=O)C(O)=O | | InChi: | InChI=1S/C12H21N3O7/c13-6(10(17)18)2-1-3-8(12(21)22)15-9(16)5-4-7(14)11(19)20/h6-8H,1-5,13-14H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t6-,7+,8-/m0/s1 | | Definition date: | 2020-11-06 | | Last modified: | 2024-09-27 | | Release date: | 2021-10-06 | | Identifier: | (2~{S},6~{S})-2-azanyl-6-[[(4~{R})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid |
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 | | YWF | | Name: | gamma-aminobutenoic acid | | Formula: | C4 H7 N O2 | | SMILES: | NCC=CC(O)=O | | InChi: | InChI=1S/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1+ | | Synonyms: | (E)-4-azanylbut-2-enoic acid | | Definition date: | 2023-06-22 | | Last modified: | 2024-09-27 | | Release date: | 2024-06-05 | | Identifier: | (~{E})-4-azanylbut-2-enoic acid |
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 | | NLF | | Name: | N-formyl-L-tryptophan | | Formula: | C12 H12 N2 O3 | | SMILES: | O=C(O)C(NC=O)Cc1c[NH]c2ccccc21 | | InChi: | InChI=1S/C12H12N2O3/c15-7-14-11(12(16)17)5-8-6-13-10-4-2-1-3-9(8)10/h1-4,6-7,11,13H,5H2,(H,14,15)(H,16,17)/t11-/m0/s1 | | Definition date: | 2022-04-05 | | Last modified: | 2024-09-27 | | Release date: | 2022-08-17 | | Identifier: | N-formyl-L-tryptophan |
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 | | UHQ | | Name: | 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde | | Formula: | C14 H20 N2 O3 S | | SMILES: | CN(C)C1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C14H20N2O3S/c1-15(2)13-7-9-16(10-8-13)20(18,19)14-5-3-12(11-17)4-6-14/h3-6,11,13H,7-10H2,1-2H3 | | Definition date: | 2021-02-23 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-09 | | Identifier: | 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde |
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